N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

C122H129N43O4S6 — CID 158583318

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 158583318) has the molecular formula C122H129N43O4S6 and a molecular weight of 2454.07 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 158583318
• Molecular Formula: C122H129N43O4S6
• Molecular Weight: 2454.07 g/mol
• Exact Mass: 2451.95
• IUPAC Name: N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CN(C)Cc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.COCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1cc(CN2CCCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1.c1cc(N2CCOCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1
• InChI: InChI=1S/C24H27N7OS.C23H25N7OS.C21H24N8OS.C19H19N7S.C18H17N7OS.C17H17N7S/c1-32-15-14-30-10-12-31(13-11-30)17-18-4-9-26-22(16-18)29-24-28-21-3-2-20(27-23(21)33-24)19-5-7-25-8-6-19;1-31-15-14-29-10-12-30(13-11-29)18-6-9-25-21(16-18)28-23-27-20-3-2-19(26-22(20)32-23)17-4-7-24-8-5-17;1-30-11-10-28-6-8-29(9-7-28)16-4-5-22-19(12-16)27-21-26-18-3-2-17(25-20(18)31-21)15-13-23-24-14-15;1-2-8-26(7-1)12-13-5-6-20-17(9-13)25-19-24-16-4-3-15(23-18(16)27-19)14-10-21-22-11-14;1-2-15-17(22-14(1)12-10-20-21-11-12)27-18(23-15)24-16-9-13(3-4-19-16)25-5-7-26-8-6-25;1-24(2)10-11-5-6-18-15(7-11)23-17-22-14-4-3-13(21-16(14)25-17)12-8-19-20-9-12/h2-9,16H,10-15,17H2,1H3,(H,26,28,29);2-9,16H,10-15H2,1H3,(H,25,27,28);2-5,12-14H,6-11H2,1H3,(H,23,24)(H,22,26,27);3-6,9-11H,1-2,7-8,12H2,(H,21,22)(H,20,24,25);1-4,9-11H,5-8H2,(H,20,21)(H,19,23,24);3-9H,10H2,1-2H3,(H,19,20)(H,18,22,23)
• InChIKey: HTNCMDWLBWFRBZ-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 510.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 49
• Rotatable Bonds: 36
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.07
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 158583318) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is CN(C)Cc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.COCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.c1cc(CN2CCCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1.c1cc(N2CCOCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1.

What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is HTNCMDWLBWFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS.C23H25N7OS.C21H24N8OS.C19H19N7S.C18H17N7OS.C17H17N7S/c1-32-15-14-30-10-12-31(13-11-30)17-18-4-9-26-22(16-18)29-24-28-21-3-2-20(27-23(21)33-24)19-5-7-25-8-6-19;1-31-15-14-29-10-12-30(13-11-29)18-6-9-25-21(16-18)28-23-27-20-3-2-19(26-22(20)32-23)17-4-7-24-8-5-17;1-30-11-10-28-6-8-29(9-7-28)16-4-5-22-19(12-16)27-21-26-18-3-2-17(25-20(18)31-21)15-13-23-24-14-15;1-2-8-26(7-1)12-13-5-6-20-17(9-13)25-19-24-16-4-3-15(23-18(16)27-19)14-10-21-22-11-14;1-2-15-17(22-14(1)12-10-20-21-11-12)27-18(23-15)24-16-9-13(3-4-19-16)25-5-7-26-8-6-25;1-24(2)10-11-5-6-18-15(7-11)23-17-22-14-4-3-13(21-16(14)25-17)12-8-19-20-9-12/h2-9,16H,10-15,17H2,1H3,(H,26,28,29);2-9,16H,10-15H2,1H3,(H,25,27,28);2-5,12-14H,6-11H2,1H3,(H,23,24)(H,22,26,27);3-6,9-11H,1-2,7-8,12H2,(H,21,22)(H,20,24,25);1-4,9-11H,5-8H2,(H,20,21)(H,19,23,24);3-9H,10H2,1-2H3,(H,19,20)(H,18,22,23).

What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 2454.07 g/mol, XLogP of 20.46, 36 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 158583318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).